NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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654024 |
6tk0   |
34460 | cing | 1-original | 1 | unknown | dihedral angle |
# Restraints file 1: pred.tab REMARK TALOS+ Protein Backbone Torsion Angle Prediction Table REMARK Prediction Summary for Chemical Shift Input Cyt.tab REMARK REMARK PHI is the predicted torsion angle C(i-1) N(i) CA(i) C(i) (degrees). REMARK PSI is the predicted torsion angle N(i) CA(i) C(i) N(i+1) (degrees). REMARK REMARK DPHI and DPSI are the estimated standard deviations of the REMARK prediction errors in PHI and PSI (degrees). REMARK REMARK DIST is the TALOS+ database matching score. REMARK REMARK S2 is the Wishart RCI chemical shift order parameter, REMARK JACS, 127(43), 14970-14971. REMARK REMARK COUNT is the number of database triplets used to form REMARK the torsion angle predictions. REMARK REMARK CLASS is the classification of the prediction result: REMARK None: no torsion prediction was made. REMARK REMARK Good: majority consensus in database matches; REMARK prediction is likely to be good. REMARK REMARK Warn: no consensus in database matches, do not use prediction. REMARK REMARK Dyn: RCI S2 value indicates that residue has dynamic conformation. REMARK REMARK Reference: REMARK Y. Shen, F. Delaglio, G. Cornilescu, and A. Bax: REMARK TALOS plus: A hybrid method for predicting protein REMARK torsion angles from NMR chemical shifts. REMARK J. Biomol. NMR 44, 213-223 (2009). REMARK REMARK TALOS+ Version 3.80F1 Rev 2012.080.14.41 TALOS_INFO DATA FIRST_RESID 1 DATA SEQUENCE MDIGINSDPHPPHHHDHHGHGSGWEVPEAEIHRENPIPPDARSLDQGGVLYAEHC DATA SEQUENCE VRCHGETLRGDGPDAHDLDPPVADLVEHAPHHSDGDLAYRVRIGRGPMPGFGDAL DATA SEQUENCE DERDIWDLVNFMRDRAQGAALAGTNGHSPDHAAGDHHHGDHHH VARS RESID RESNAME PHI PSI DPHI DPSI DIST S2 COUNT CS_COUNT CLASS FORMAT %4d %s %8.3f %8.3f %8.3f %8.3f %8.3f %5.3f %2d %2d %s 3 I 9999.000 9999.000 0.000 0.000 0.000 0.000 0 11 None 4 G -172.977 165.681 74.042 24.275 34.630 0.824 10 17 Warn 5 I -124.407 144.107 34.799 28.545 46.865 0.752 10 14 Good 6 N -96.901 126.918 31.065 43.153 92.975 0.711 7 9 Warn 7 S 9999.000 9999.000 0.000 0.000 0.000 0.000 0 3 None 8 D 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 9 P 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 10 H 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 11 P 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 12 P 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 13 H 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 14 H 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 15 H 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 16 D 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 17 H 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 18 H 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 19 G 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 20 H 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 21 G 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 22 S 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 23 G 9999.000 9999.000 0.000 0.000 0.000 0.000 0 6 None 24 W -94.273 130.613 56.238 12.660 76.248 0.842 10 12 Warn 25 E -111.904 119.956 19.893 19.549 44.641 0.841 10 18 Good 26 V -93.995 123.792 32.900 17.518 87.323 0.851 10 12 Good 27 P -63.780 142.855 9.097 11.998 72.673 0.835 10 11 Good 28 E -58.887 -32.239 7.188 9.640 58.718 0.833 10 11 Warn 29 A -88.345 -0.010 15.611 16.096 53.603 0.839 10 17 Good 30 E 53.773 38.040 9.376 11.501 84.827 0.857 10 18 Warn 31 I -68.318 -22.259 9.498 14.472 72.249 0.874 10 18 Good 32 H -99.507 7.679 16.678 9.152 46.384 0.889 10 18 Good 33 R -93.575 124.339 25.755 19.427 53.395 0.896 10 18 Good 34 E -112.695 124.182 16.785 19.717 41.780 0.895 10 17 Good 35 N -81.239 127.292 28.850 17.787 109.616 0.894 10 11 Good 36 P 9999.000 9999.000 0.000 0.000 0.000 0.000 0 5 None 37 I 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 38 P 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 39 P 9999.000 9999.000 0.000 0.000 0.000 0.000 0 6 None 40 D -122.275 156.291 59.109 27.599 102.113 0.864 9 12 Warn 41 A 57.061 33.605 17.403 20.064 97.414 0.862 10 18 Warn 42 R 60.457 35.097 15.347 13.124 55.261 0.870 10 18 Good 43 S -61.690 -37.840 3.433 13.835 42.553 0.864 9 18 Warn 44 L -79.438 -11.835 11.034 18.844 27.115 0.858 10 17 Good 45 D -82.905 -10.743 22.765 20.656 37.707 0.835 10 17 Good 46 Q 54.250 41.007 5.323 11.498 53.223 0.816 10 15 Good 47 G 80.817 3.002 19.376 15.429 63.475 0.823 10 14 Good 48 G -92.116 132.538 21.212 20.462 48.979 0.841 10 14 Good 49 V -61.189 -20.469 8.180 7.324 31.961 0.854 8 16 Warn 50 L -74.538 -15.430 15.808 19.515 27.843 0.839 10 17 Good 51 Y -76.053 -32.193 18.090 27.927 33.213 0.824 10 17 Good 52 A -67.034 -22.024 7.181 12.693 41.725 0.820 10 17 Good 53 E -75.115 -27.983 11.853 16.387 50.212 0.836 10 18 Good 54 H -102.829 -15.845 16.194 22.621 53.270 0.859 10 18 Good 55 C -121.337 152.388 17.606 12.418 49.339 0.881 10 18 Good 56 V -114.086 147.597 53.169 21.550 72.853 0.892 10 18 Warn 57 R 60.468 31.346 15.080 17.304 51.877 0.905 10 18 Good 58 C -134.355 164.276 14.392 10.081 52.936 0.917 10 15 Good 59 H -139.344 154.336 8.090 4.962 54.803 0.915 10 14 Good 60 G -85.289 121.846 53.955 58.412 55.688 0.903 10 12 Warn 61 E -65.994 -37.331 18.599 14.319 53.993 0.902 10 15 Good 62 T -91.625 8.161 11.492 13.215 52.641 0.915 10 16 Warn 63 L 58.737 30.220 7.295 11.836 57.914 0.928 10 18 Good 64 R -107.597 5.635 17.341 13.666 60.043 0.907 10 16 Good 65 G 64.661 32.602 21.755 20.309 49.563 0.839 10 16 Good 66 D -98.512 2.177 14.159 21.463 75.936 0.743 10 15 Good 67 G -135.255 97.314 29.513 45.203 96.449 0.695 10 11 Warn 68 P -59.141 -17.449 5.334 8.630 72.867 0.734 7 11 Warn 69 D -91.025 0.460 21.540 19.189 64.657 0.855 10 12 Good 70 A -74.990 -21.907 21.056 20.375 46.815 0.869 10 17 Good 71 H -97.507 12.943 9.163 9.948 41.374 0.892 10 17 Good 72 D 63.470 33.762 10.960 12.603 44.918 0.910 10 17 Good 73 L -95.170 121.158 11.293 30.553 57.453 0.913 10 18 Good 74 D -102.844 117.791 34.566 29.717 108.839 0.912 10 12 Good 75 P 9999.000 9999.000 0.000 0.000 0.000 0.000 0 6 None 76 P 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 77 V 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 78 A 9999.000 9999.000 0.000 0.000 0.000 0.000 0 6 None 79 D -86.360 125.677 15.272 46.766 65.296 0.837 10 12 Warn 80 L -68.344 -16.888 19.777 21.110 31.202 0.834 10 18 Good 81 V -72.704 -36.816 9.490 9.345 28.556 0.839 10 18 Good 82 E -81.092 -22.807 14.185 15.140 28.905 0.838 10 18 Good 83 H -95.138 -8.624 10.017 9.243 48.925 0.850 10 18 Good 84 A 55.849 38.605 12.539 15.096 124.260 0.863 10 12 Warn 85 P -65.307 -26.653 20.490 14.829 103.296 0.867 10 12 Good 86 H -94.696 5.176 10.865 13.728 65.915 0.882 9 12 Warn 87 H -126.819 127.197 18.532 15.570 46.632 0.884 10 17 Good 88 S -130.849 151.995 22.699 18.027 49.690 0.866 10 17 Good 89 D 49.603 41.322 6.709 10.066 55.106 0.845 10 16 Good 90 G 84.542 -3.553 15.906 13.372 51.555 0.840 10 17 Good 91 D -77.033 -15.156 19.394 14.447 42.690 0.872 6 17 Warn 92 L -93.805 5.176 12.796 15.301 34.299 0.901 10 18 Good 93 A 65.069 33.347 14.664 9.842 41.652 0.908 10 18 Good 94 Y -74.986 -20.738 19.214 27.571 39.317 0.903 10 18 Good 95 R -68.445 -36.165 11.369 11.152 34.352 0.891 10 18 Good 96 V -68.849 -19.490 5.871 22.099 37.266 0.892 10 18 Good 97 R -89.907 -7.741 21.931 21.200 34.138 0.877 7 18 Warn 98 I -97.717 0.800 20.982 21.904 29.620 0.869 10 16 Good 99 G -136.303 178.682 67.602 23.956 36.908 0.854 10 14 Warn 100 R -145.246 171.197 55.559 31.669 92.250 0.852 6 8 Warn 101 G 9999.000 9999.000 0.000 0.000 0.000 0.000 0 4 None 102 P 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 103 M 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 104 P 9999.000 9999.000 0.000 0.000 0.000 0.000 0 4 None 105 G -97.771 2.935 7.864 3.027 85.627 0.821 6 10 Warn 106 F -98.781 150.564 24.579 32.684 50.518 0.794 10 14 Good 107 G -156.432 161.471 87.087 33.806 61.566 0.796 10 16 Warn 108 D -93.958 -1.237 16.993 26.253 57.623 0.800 10 16 Good 109 A -104.527 2.667 7.496 22.211 52.234 0.845 10 17 Good 110 L -125.636 142.105 26.473 21.401 43.492 0.855 10 16 Good 111 D -100.713 155.826 66.376 44.507 46.975 0.845 10 16 Warn 112 E -57.784 -26.387 19.082 21.605 50.192 0.840 10 16 Good 113 R -98.854 13.925 10.558 7.027 32.716 0.859 10 17 Good 114 D 62.092 33.934 11.827 12.007 58.649 0.883 10 17 Good 115 I 63.422 29.423 12.499 11.399 103.069 0.894 10 18 Warn 116 W -94.967 6.805 14.734 13.629 66.353 0.885 10 18 Good 117 D 54.160 41.200 17.806 11.179 59.005 0.890 10 18 Warn 118 L -72.075 -27.538 14.092 27.312 49.728 0.896 10 18 Good 119 V -66.533 -36.081 13.357 12.035 46.242 0.908 10 18 Good 120 N 92.972 16.722 18.467 16.770 55.346 0.904 10 18 Good 121 F -68.031 -27.657 14.485 23.775 41.326 0.903 10 18 Good 122 M -77.746 -15.924 12.041 21.301 37.171 0.903 10 18 Good 123 R 60.593 32.620 11.618 10.540 50.510 0.900 10 17 Good 124 D -82.172 -21.054 22.128 26.629 55.175 0.893 10 17 Good 125 R -96.173 7.635 11.618 7.271 33.854 0.862 10 17 Good 126 A 58.854 32.106 19.868 22.765 45.249 0.816 10 18 Good 127 Q -92.201 1.103 14.351 10.438 44.358 0.773 10 16 Good 128 G 84.970 7.067 7.945 12.056 45.090 0.759 10 16 Good 129 A -80.334 126.322 71.381 48.531 44.724 0.775 10 16 Warn 130 A -52.578 138.287 94.327 55.436 29.664 0.804 8 18 Warn 131 L -88.590 142.701 61.051 54.813 34.202 0.830 10 18 Warn 132 A -114.855 148.633 81.014 48.906 36.265 0.847 9 16 Warn 133 G -141.106 164.795 63.053 24.108 50.216 0.851 10 16 Warn 134 T -122.928 134.844 35.268 20.666 43.727 0.826 10 16 Warn 135 N -76.897 146.825 45.042 37.163 97.211 0.810 10 12 Warn 136 G 9999.000 9999.000 0.000 0.000 0.000 0.000 0 6 None 137 H 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 138 S 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 139 P 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 140 D 9999.000 9999.000 0.000 0.000 0.000 0.000 0 0 None 141 H 9999.000 9999.000 0.000 0.000 0.000 0.000 0 6 None 142 A -100.419 135.807 88.407 45.714 57.486 0.845 9 12 Warn 143 A -116.448 140.134 55.798 29.083 34.153 0.854 9 16 Warn 144 G -168.532 167.202 53.843 23.595 45.000 0.870 10 16 Warn 145 D -106.184 134.370 54.356 34.961 42.985 0.857 10 14 Warn 146 H -101.863 150.710 19.034 31.737 95.196 0.851 10 10 Good 147 H 9999.000 9999.000 0.000 0.000 0.000 0.000 0 4 None
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